CID 23819

N,n'''-1,6-hexanediylbisguanidine dihydrochloride

Structural Information

Molecular Formula
C8H20N6
SMILES
C(CCCN=C(N)N)CCN=C(N)N
InChI
InChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKey
WBLYUCKTWSGGBI-UHFFFAOYSA-N
Compound name
2-[6-(diaminomethylideneamino)hexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

505
Patents

200.17494 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18222 145.8
[M+Na]+ 223.16416 148.2
[M-H]- 199.16766 146.5
[M+NH4]+ 218.20876 163.1
[M+K]+ 239.13810 148.1
[M+H-H2O]+ 183.17220 137.6
[M+HCOO]- 245.17314 173.7
[M+CH3COO]- 259.18879 205.1
[M+Na-2H]- 221.14961 147.5
[M]+ 200.17439 139.8
[M]- 200.17549 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe